SCHEMBL2965288

SCHEMBL2965288

CCCc1ccc2c(Nc3cc(OCc4ccc(Br)cc4)ccc3Sc3ccc(O)cc3)ccnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
AKT2 P31751 1/20 0.49
MAOB P27338 10/20 0.36
MAOA P21397 8/20 0.36
CTDSP1 Q9GZU7 1/20 0.34
AR P10275 1/20 0.33
ATM Q13315 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SLC26A4 O43511 1/20 0.32
BLM P54132 1/20 0.32
SREBF2 Q12772 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCAT2 O15382 1/20 0.31
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2964171 0.92 PIM1 (0.45) PIM1AKT2MAOBMAOAATM
SCHEMBL2962127 0.92 PIM1 (0.50) PIM1AKT2MAOBMAOAKMT2A
SCHEMBL2961388 0.91 PIM1 (0.49) PIM1AKT2MAOBMAOA
SCHEMBL2962053 0.91 PIM1 (0.41) PIM1AKT2MAOBMAOACTDSP1
SCHEMBL2954780 0.89 PIM1 (0.59) PIM1AKT2MAOBMAOACTDSP1
SCHEMBL2962785 0.87 PIM1 (0.45) PIM1AKT2SREBF2LMNA
SCHEMBL2960452 0.86 PIM1 (0.45) PIM1AKT2MAOBMAOA
SCHEMBL2970350 0.86 PIM1 (0.45) PIM1AKT2MAOBMAOA
SCHEMBL2969661 0.85 PIM1 (0.46) PIM1AKT2MAOBMAOAAR
SCHEMBL2969836 0.84 PIM1 (0.55) PIM1AKT2MAOBMAOACTDSP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAOB 3352/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAOB 3352/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.